(E)-3-(2-chlorophenyl)-N-(6-fluoroquinolin-4-yl)prop-2-enamide

C18H12ClFN2O — CID 39851782

IUPAC(E)-3-(2-chlorophenyl)-N-(6-fluoroquinolin-4-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)Nc1ccnc2ccc(F)cc12
InChIInChI=1S/C18H12ClFN2O/c19-15-4-2-1-3-12(15)5-8-18(23)22-17-9-10-21-16-7-6-13(20)11-14(16)17/h1-11H,(H,21,22,23)/b8-5+
InChIKeyDLVCPUXNQKIXMI-VMPITWQZSA-N
MW326.76 g/mol
LogP4.68
Rot. Bonds3

About (E)-3-(2-chlorophenyl)-N-(6-fluoroquinolin-4-yl)prop-2-enamide

(E)-3-(2-chlorophenyl)-N-(6-fluoroquinolin-4-yl)prop-2-enamide (PubChem CID 39851782) has the molecular formula C18H12ClFN2O and a molecular weight of 326.76 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-(6-fluoroquinolin-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-(6-fluoroquinolin-4-yl)prop-2-enamide
PubChem CID39851782
Molecular FormulaC18H12ClFN2O
Molecular Weight326.76 g/mol
Exact Mass326.06
IUPAC Name(E)-3-(2-chlorophenyl)-N-(6-fluoroquinolin-4-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)Nc1ccnc2ccc(F)cc12
InChIInChI=1S/C18H12ClFN2O/c19-15-4-2-1-3-12(15)5-8-18(23)22-17-9-10-21-16-7-6-13(20)11-14(16)17/h1-11H,(H,21,22,23)/b8-5+
InChIKeyDLVCPUXNQKIXMI-VMPITWQZSA-N
XLogP4.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.76
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-(6-fluoroquinolin-4-yl)prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-(6-fluoroquinolin-4-yl)prop-2-enamide (CID 39851782) is (E)-3-(2-chlorophenyl)-N-(6-fluoroquinolin-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-(6-fluoroquinolin-4-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-(6-fluoroquinolin-4-yl)prop-2-enamide is O=C(/C=C/c1ccccc1Cl)Nc1ccnc2ccc(F)cc12.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-(6-fluoroquinolin-4-yl)prop-2-enamide?
The InChIKey is DLVCPUXNQKIXMI-VMPITWQZSA-N. The full InChI is InChI=1S/C18H12ClFN2O/c19-15-4-2-1-3-12(15)5-8-18(23)22-17-9-10-21-16-7-6-13(20)11-14(16)17/h1-11H,(H,21,22,23)/b8-5+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-(6-fluoroquinolin-4-yl)prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-(6-fluoroquinolin-4-yl)prop-2-enamide has a molecular weight of 326.76 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-(6-fluoroquinolin-4-yl)prop-2-enamide is sourced from PubChem (CID 39851782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).